Vitas-M small molecule compound
N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl}-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
Catalog ID
STL422625
SMILES COc1ccc(cc1OC)CCc1[nH]nc(n1)NC(=O)c1[nH]nc2c1CCCCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H26N6O3 MW 410.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N6O3/c1-29-16-10-8-13(12-17(16)30-2)9-11-18-22-21(27-25-18)23-20(28)19-14-6-4-3-5-7-15(14)24-26-19/h8,10,12H,3-7,9,11H2,1-2H3,(H,24,26)(H2,22,23,25,27,28)InChIKey
KRVWJDAUJHBPJJ-UHFFFAOYSA-NSynonyms
1630832-66-41630832664
COC1=C(C=C(C=C1)CCC2=NC(=NN2)NC(=O)C3=NNC4=C3CCCCC4)OC
COc1ccc(cc1OC)CCc1(nH)nc(n1)NC(=O)c1(nH)nc2c1CCCCC2
COc1ccc(cc1OC)CCc1(nH)nc(n1)NC(=O)c1n(nH)c2c1CCCCC2
InChI=1SC21H26N6O3c1291610813(1217(16)302)911182221(272518)2320(28)19146435715(14)242619h81012H37911H212H3(H2426)(H22223252728)
MFCD30708270
N(5(2(34dimethoxyphenyl)ethyl)1H124triazol3yl)145678hexahydrocyclohepta(c)pyrazole3carboxamide
N(5(2(34dimethoxyphenyl)ethyl)1H124triazol3yl)245678hexahydrocyclohepta(c)pyrazole3carboxamide
N(5(34dimethoxyphenethyl)1H124triazol3yl)145678hexahydrocyclohepta(c)pyrazole3carboxamide
ZINC000170625118
ZINC170625118
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